N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide

C17H25N5O — CID 71835939

IUPACN-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(Cc2nc3cccnc3n2CC(C)C)C1
InChIInChI=1S/C17H25N5O/c1-12(2)10-22-15(20-14-5-4-7-19-16(14)22)9-13-6-8-21(11-13)17(23)18-3/h4-5,7,12-13H,6,8-11H2,1-3H3,(H,18,23)
InChIKeyKECVPANWUWFIAK-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.29
Rot. Bonds4

About N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide

N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 71835939) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID71835939
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(Cc2nc3cccnc3n2CC(C)C)C1
InChIInChI=1S/C17H25N5O/c1-12(2)10-22-15(20-14-5-4-7-19-16(14)22)9-13-6-8-21(11-13)17(23)18-3/h4-5,7,12-13H,6,8-11H2,1-3H3,(H,18,23)
InChIKeyKECVPANWUWFIAK-UHFFFAOYSA-N
XLogP2.29
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 83272706
3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
CID 83272666
[(3R)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 95112513
N-(4-methoxy-2-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 53194571
2-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117164029
1-[(3R)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 97429167
[3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 83273773
2-[[(3R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 97429232
(3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 95112501
N-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide
CID 83272991
(3R)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 95112504
methyl 3-[[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carbonyl]amino]propanoate
CID 53194516

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide (CID 71835939) is N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide is CNC(=O)N1CCC(Cc2nc3cccnc3n2CC(C)C)C1.
What is the InChIKey of N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is KECVPANWUWFIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12(2)10-22-15(20-14-5-4-7-19-16(14)22)9-13-6-8-21(11-13)17(23)18-3/h4-5,7,12-13H,6,8-11H2,1-3H3,(H,18,23).
What are the key properties of N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide?
N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71835939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).